Bromine in PDB 1eg6: Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine

The structure of Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine, PDB code: 1eg6 was solved by C.J.Cardin, W.A.Denny, J.R.Hobbs, J.H.Thorpe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 2.00
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	29.420, 53.440, 41.320, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 34.7

The structure of Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine also contains other interesting chemical elements:

Cobalt

(Co)

2 atoms

The binding sites of Bromine atom in the Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine (pdb code 1eg6). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine, PDB code: 1eg6:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine within 5.0Å range: probe atom residue distance (Å) B Occ A:Br41 b:48.4 occ:1.00 C5 A:DU3 2.0 24.5 1.0 C6 A:DU3 2.9 25.2 1.0 C4 A:DU3 3.0 26.9 1.0 O A:HOH49 3.1 33.1 1.0 O4 A:DU3 3.1 25.3 1.0 C2' A:DG2 3.4 45.4 1.0 C8 A:DG2 3.5 50.5 1.0 OP2 A:DU3 3.6 42.1 1.0 N9 A:DG2 3.7 47.7 1.0 N7 A:DG2 3.8 48.8 1.0 CD8 B:BFA50 4.0 36.0 0.5 C4 A:DG2 4.2 32.5 1.0 C3' A:DG2 4.2 41.7 1.0 O A:HOH45 4.2 49.6 1.0 C5 A:DG2 4.2 31.4 1.0 N1 A:DU3 4.2 35.3 1.0 N3 A:DU3 4.2 24.3 1.0 C1' A:DG2 4.3 50.9 1.0 OP1 A:DG2 4.3 84.5 1.0 ND2 B:BFA50 4.7 16.7 0.5 O5' A:DU3 4.7 39.9 1.0 P A:DU3 4.7 42.8 1.0 C2 A:DU3 4.8 35.9 1.0 O A:HOH52 4.9 34.1 1.0 O3' A:DG2 4.9 38.1 1.0 N3 A:DG2 5.0 36.6 1.0

Bromine binding site 2 out of 4 in the Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine within 5.0Å range: probe atom residue distance (Å) B Occ B:Br44 b:39.5 occ:1.00 C5 B:DU3 2.0 28.6 1.0 C6 B:DU3 2.9 29.6 1.0 C4 B:DU3 2.9 20.5 1.0 O4 B:DU3 3.2 29.6 1.0 O B:HOH54 3.6 34.7 1.0 C8 B:DG2 3.6 26.3 1.0 N9 B:DG2 3.9 25.0 1.0 N7 B:DG2 4.0 23.9 1.0 C2' B:DG2 4.0 25.2 1.0 N3 B:DU3 4.2 27.2 1.0 N1 B:DU3 4.2 32.1 1.0 O B:HOH51 4.3 54.8 1.0 C1' B:DG2 4.4 21.7 1.0 C4 B:DG2 4.5 26.0 1.0 C5 B:DG2 4.5 24.1 1.0 CO B:3CO43 4.6 45.2 1.0 O A:HOH47 4.7 86.8 1.0 OP1 B:DG2 4.7 46.0 0.5 C2 B:DU3 4.8 28.9 1.0

Bromine binding site 3 out of 4 in the Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine within 5.0Å range: probe atom residue distance (Å) B Occ B:Br50 b:56.5 occ:0.50 BR B:BFA50 0.0 56.5 0.5 C2 B:BFA50 1.5 41.5 0.5 C5 B:BFA50 1.9 38.5 0.5 C1 B:BFA50 2.2 37.1 0.5 C3 B:BFA50 2.7 46.0 0.5 C6 B:BFA50 2.8 43.7 0.5 C14 B:BFA50 2.8 38.4 0.5 N10 B:BFA50 3.1 35.2 0.5 O B:HOH60 3.2 39.8 1.0 C11 B:BFA50 3.5 39.5 0.5 C4 B:BFA50 3.9 43.3 0.5 C13 B:BFA50 4.2 41.0 0.5 C7 B:BFA50 4.2 42.0 0.5 OD1 B:BFA50 4.2 40.4 0.5 C12 B:BFA50 4.2 39.4 0.5 C12 B:BFA50 4.4 32.8 0.5 N9 B:BFA50 4.5 39.5 0.5 N4 B:DC5 4.6 35.8 1.0 C8 B:BFA50 4.7 40.3 0.5

Bromine binding site 4 out of 4 in the Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure Analysis of D(Cg(5-Bru)Acg) Complexes to A Phenazine within 5.0Å range: probe atom residue distance (Å) B Occ B:Br50 b:54.1 occ:0.50 BR B:BFA50 0.0 54.1 0.5 C5 B:BFA50 1.9 37.1 0.5 C14 B:BFA50 2.8 38.4 0.5 C6 B:BFA50 2.8 43.3 0.5 N10 B:BFA50 3.0 39.7 0.5 N3 A:DG2 3.6 36.6 1.0 C4 A:DG2 3.8 32.5 1.0 C2 A:DG2 3.9 31.8 1.0 C8 B:BFA50 3.9 40.3 0.5 OD1 B:BFA50 4.0 36.1 0.5 C7 B:BFA50 4.2 44.3 0.5 C13 B:BFA50 4.2 38.5 0.5 C5 A:DG2 4.2 31.4 1.0 N9 A:DG2 4.3 47.7 1.0 N1 A:DG2 4.3 30.5 1.0 C12 B:BFA50 4.3 39.4 0.5 N2 A:DG2 4.4 37.2 1.0 N2 B:DG6 4.4 32.5 1.0 C6 A:DG2 4.5 34.2 1.0 C7 B:BFA50 4.6 42.0 0.5 C8 B:BFA50 4.7 37.7 0.5 CD1 B:BFA50 4.8 41.3 0.5 C1' A:DG2 4.8 50.9 1.0 C8 A:DG2 4.9 50.5 1.0 N7 A:DG2 4.9 48.8 1.0 O4' A:DG2 4.9 59.5 1.0 N9 B:BFA50 4.9 38.4 0.5 C13 B:BFA50 4.9 41.0 0.5

J.H.Thorpe, J.R.Hobbs, A.K.Todd, W.A.Denny, P.Charlton, C.J.Cardin. Guanine Specific Binding at A Dna Junction Formed By D[Cg(5-Bru)Acg](2) with A Topoisomerase Poison in the Presence of Co(2+) Ions. Biochemistry V. 39 15055 2000.
ISSN: ISSN 0006-2960
PubMed: 11106483
DOI: 10.1021/BI001749P